5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione

C26H24O6 — CID 11796972

IUPAC5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(OC)ccc(OC)c3c1OC)C2=O
InChIInChI=1S/C26H24O6/c1-13-9-16-23(21(10-13)31-5)18(27)12-17(25(16)28)22-14(2)11-15-19(29-3)7-8-20(30-4)24(15)26(22)32-6/h7-12H,1-6H3
InChIKeyYUNVZEWFMYFZAA-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.95
Rot. Bonds5

About 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione

5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione (PubChem CID 11796972) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione.

Molecular Properties

Compound Name5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione
PubChem CID11796972
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(OC)ccc(OC)c3c1OC)C2=O
InChIInChI=1S/C26H24O6/c1-13-9-16-23(21(10-13)31-5)18(27)12-17(25(16)28)22-14(2)11-15-19(29-3)7-8-20(30-4)24(15)26(22)32-6/h7-12H,1-6H3
InChIKeyYUNVZEWFMYFZAA-UHFFFAOYSA-N
XLogP4.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione?
The IUPAC name of 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione (CID 11796972) is 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione.
What is the SMILES notation for 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione?
The canonical SMILES for 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione is COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(OC)ccc(OC)c3c1OC)C2=O.
What is the InChIKey of 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione?
The InChIKey is YUNVZEWFMYFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6/c1-13-9-16-23(21(10-13)31-5)18(27)12-17(25(16)28)22-14(2)11-15-19(29-3)7-8-20(30-4)24(15)26(22)32-6/h7-12H,1-6H3.
What are the key properties of 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione?
5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione has a molecular weight of 432.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-2-(1,5,8-trimethoxy-3-methylnaphthalen-2-yl)naphthalene-1,4-dione is sourced from PubChem (CID 11796972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).